Structure of PDB 7nhn Chain 0 Binding Site BS04

Receptor Information
>7nhn Chain 0 (length=461) Species: 169963 (Listeria monocytogenes EGD-e) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIEINQLKIEVADRVLVEIPHLLVSKKARIGIIGQNGLGKTTLMEVIAGA
KEATSGTVTTQGKLAYIKQLSTDTSTKSGGEKTRKATQHAMRQNPSVLLA
DQPTSNLDVESVKHLERQWSDFHGALIIISHDRAFLDALCTEIWEIKNQK
IHVYKGNYHAYLEQKQQQENQAELAYKEFKNKKKQLQASQTHHEIEAGRI
VKPGKRLNNKEASAFKAGKGTQQKKQHSTIKALEKRIERLGNVEKPHTTK
PIKIITPDNRVIKKGNTILSAKETAYEIAGRKLFETKAFSIKAGDKVALI
GENASGKTTFLKEIIQENPNLLCNPQAKIAYFDQELNGLNQTKSLLENIS
EISVQTKQVNREVLGSMHFKESDLHKEVRMLSGGERVKLLLSMLLLSDAN
FLILDQPTNYLDIYAMEALETLIKQFAGTVLFVSHDRTFVNHVAEQLLVI
ENNEMNFHRMT
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7nhn Chain 0 Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7nhn Structural basis of ABCF-mediated resistance to pleuromutilin, lincosamide, and streptogramin A antibiotics in Gram-positive pathogens.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		T78 S80 E83 I280 N305 A306 S307 G308 K309 T310 T311 Q336
Binding residue
(residue number reindexed from 1)		T76 S78 E81 I278 N303 A304 S305 G306 K307 T308 T309 Q334
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:7nhn, PDBe:7nhn, PDBj:7nhn
PDBsum7nhn
PubMed34117249
UniProtQ8Y8I3

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